SCHEMBL2046448

SCHEMBL2046448

CCCCCCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(N)(F)F

nearest known ligand 0.38

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SMPD1 P17405 4/20 0.38
CES2 O00748 3/20 0.38
FDPS P14324 2/20 0.38
LPAR1 Q92633 1/20 0.38
LPAR3 Q9UBY5 1/20 0.38
TSHR P16473 1/20 0.33
THRB P10828 1/20 0.33
FAAH O00519 7/20 0.32
CES1 P23141 5/20 0.32
MEN1 O00255 1/20 0.32
CYP1A2 P05177 1/20 0.32
KMT2A Q03164 1/20 0.32
HSD17B10 Q99714 1/20 0.32
GGPS1 O95749 1/20 0.32

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL5716348 0.91 SMPD1 (0.41) SMPD1CES2FDPSLPAR1LPAR3
SCHEMBL14732353 0.89 CES2 (0.45) CES2FDPSLPAR1LPAR3TSHR
SCHEMBL14732240 0.89 CES2 (0.45) CES2FDPSLPAR1LPAR3TSHR
SCHEMBL14732354 0.89 CES2 (0.45) CES2FDPSLPAR1LPAR3TSHR
SCHEMBL14732356 0.89 CES2 (0.45) CES2FDPSLPAR1LPAR3TSHR
SCHEMBL14732419 0.89 CES2 (0.45) CES2FDPSLPAR1LPAR3TSHR
SCHEMBL14732357 0.89 CES2 (0.45) CES2FDPSLPAR1LPAR3TSHR
SCHEMBL14732349 0.89 CES2 (0.45) CES2FDPSLPAR1LPAR3TSHR
SCHEMBL14732362 0.89 CES2 (0.45) CES2FDPSLPAR1LPAR3TSHR
SCHEMBL14732346 0.89 CES2 (0.45) CES2FDPSLPAR1LPAR3TSHR

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 11 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3077475-B1 COMPOSITIONS CONTAINING A POLYMERIC BINDER WHICH COMPRISES ACRYLIC AND/OR METHACRYLIC ACID ESTER UNITS MERCK PATENT GMBH (DE) 2018-07-04 EP disclosed
EP-2517274-B1 COMPOSITIONS COMPRISING POLYMERIC BINDERS MERCK PATENT GMBH (DE) 2017-05-24 EP disclosed
EP-2725632-B1 USE OF COMPOSITIONS COMPRISING POLYMERIC INERT BINDERS FOR THE FABRICAITON OF LIGHT-EMITTING DIODE MERCK PATENT GMBH (DE) 2016-10-26 EP disclosed
US-20160301003-A1 COMPOSITIONS CONTAINING A POLYMERIC BINDER WHICH COMPRISES ACRYLIC AND/OR METHACRYLIC ACID ESTER UNITS MERCK PATENT GMBH (DE) 2016-10-13 US disclosed
EP-3077475-A1 COMPOSITIONS CONTAINING A POLYMERIC BINDER WHICH COMPRISES ACRYLIC AND/OR METHACRYLIC ACID ESTER UNITS Merck Patent GmbH (DE) 2016-10-12 EP disclosed
US-9178156-B2 Compositions comprising polymeric binders MERCK PATENT GMBH (DE) 2015-11-03 US disclosed
WO-2015082037-A1 COMPOSITIONS CONTAINING A POLYMERIC BINDER WHICH COMPRISES ACRYLIC AND/OR METHACRYLIC ACID ESTER UNITS MERCK PATENT GMBH (DE) 2015-06-11 WO disclosed
EP-2725632-A1 USE OF COMPOSITIONS COMPRISING POLYMERIC INERT BINDERS FOR THE FABRICAITON OF LIGHT-EMITTING DIODE Merck Patent GmbH (DE) 2014-04-30 EP disclosed
US-20120273736-A1 COMPOSITIONS COMPRISING POLYMERIC BINDERS MERCK PATENT GMBH (DE) 2012-11-01 US disclosed
EP-2517274-A1 COMPOSITIONS COMPRISING POLYMERIC BINDERS Merck Patent GmbH (DE) 2012-10-31 EP disclosed
WO-2011076325-A1 COMPOSITIONS COMPRISING POLYMERIC BINDERS MERCK PATENT GMBH (DE) 2011-06-30 WO disclosed